3O0J
PDE4B In complex with ligand an2898
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PILATUS |
Wavelength(s) | 0.918 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 53.611, 53.611, 229.014 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.260 - 1.950 |
R-factor | 0.1867 |
Rwork | 0.184 |
R-free | 0.23650 |
Structure solution method | OTHER |
RMSD bond length | 0.009 |
RMSD bond angle | 1.065 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.260 | 2.030 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.058 | 0.383 |
Number of reflections | 25081 | |
Completeness [%] | 98.3 | 85.1 |
Redundancy | 11.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop vapor diffusion | 7.4 | 298 | MgCl2, pH 7.4, hanging drop vapor diffusion, temperature 298K |